2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol

C23H28N2O — CID 46889146

IUPAC2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3ccccc3O)cc2)[nH]1
InChIInChI=1S/C23H28N2O/c1-4-23(2,3)15-19-16-24-22(25-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)26/h5-10,12-13,16,26H,4,11,14-15H2,1-3H3,(H,24,25)
InChIKeyTXDPUIMKHKWTSS-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.55
Rot. Bonds7

About 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol

2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol (PubChem CID 46889146) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol.

Molecular Properties

Compound Name2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol
PubChem CID46889146
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3ccccc3O)cc2)[nH]1
InChIInChI=1S/C23H28N2O/c1-4-23(2,3)15-19-16-24-22(25-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)26/h5-10,12-13,16,26H,4,11,14-15H2,1-3H3,(H,24,25)
InChIKeyTXDPUIMKHKWTSS-UHFFFAOYSA-N
XLogP5.55
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol?
The IUPAC name of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol (CID 46889146) is 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol.
What is the SMILES notation for 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol?
The canonical SMILES for 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol is CCC(C)(C)Cc1cnc(CCc2ccc(-c3ccccc3O)cc2)[nH]1.
What is the InChIKey of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol?
The InChIKey is TXDPUIMKHKWTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-23(2,3)15-19-16-24-22(25-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)26/h5-10,12-13,16,26H,4,11,14-15H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol?
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol has a molecular weight of 348.49 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenol is sourced from PubChem (CID 46889146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).